SCHEMBL3087445

SCHEMBL3087445

NCc1c(-c2ccc(F)cc2F)ncn1Cc1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
TGFBR1 P36897 4/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
PTGER1 P34995 1/20 0.33
RORC P51449 1/20 0.33
SLC29A1 Q99808 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
KIT P10721 1/20 0.32
RIPK1 Q13546 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRM5 P41594 1/20 0.32
C1S P09871 2/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3096790 0.92 DPP4 (0.40) DPP4TGFBR1RORCSLC29A1KIT
SCHEMBL3259669 0.90 CNR1 (0.35) DPP4BRD4BRD2BRD3BRDT
SCHEMBL3096527 0.86 DPP4 (0.41) DPP4TGFBR1SLC29A1KITMAPK14
SCHEMBL3087715 0.85 DPP4 (0.39) DPP4TGFBR1RORCADORA2A
SCHEMBL3088975 0.84 DPP4 (0.40) DPP4BRD4BRD2BRD3BRDT
SCHEMBL3099285 0.84 TNF (0.35) BRD4BRD2BRD3BRDTTLR7
SCHEMBL3089159 0.81 CNR1 (0.40) DPP4SLC29A1
SCHEMBL3090731 0.81 P2RX7 (0.39) DPP4TGFBR1RORCKIT
SCHEMBL3096357 0.81 DPP4 (0.41) DPP4TGFBR1KITMAPK14NSD2
SCHEMBL3090253 0.80 TLR7 (0.35) BRD4BRD2BRD3BRDTTLR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA DPP4 147/4885TGFBR1 860/4885BRD4 2194/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 DPP4 372/4885TGFBR1 937/4885BRD4 2344/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.